Abenacianine | diagnostic imaging agent | CAS#2231255-31-3

MedKoo Cat#: 126470 | Name: Abenacianine

Description:

WARNING: This product is for research use only, not for human or veterinary use.

Abenacianine is a diagnostic imaging agent.

Chemical Structure

Abenacianine

CAS#2231255-31-3

Theoretical Analysis

MedKoo Cat#: 126470

Name: Abenacianine

CAS#: 2231255-31-3

Chemical Formula: C127H145ClF4N10O23S5

Exact Mass: 2448.8712

Molecular Weight: 2451.35

Elemental Analysis: C, 62.23; H, 5.96; Cl, 1.45; F, 3.10; N, 5.71; O, 15.01; S, 6.54

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.

Bulk Inquiry

Related CAS #

No Data

Synonym

Abenacianinum; abenacianina; abenacianine

IUPAC/Chemical Name

3-(6-((2-(4-(((S)-3-((S)-2-(((benzyloxy)carbonyl)amino)-3-phenylpropanamido)-7-(6-(2-((1E,3E,5E,7E)-7-(1,1-dimethyl-3-(4-sulfonatobutyl)-1,3-dihydro-2H-benzo[e]indol-2-ylidene)hepta-1,3,5-trien-1-yl)-1,1-dimethyl-1H-benzo[e]indol-3-ium-3-yl)hexanamido)-2-oxoheptyl)oxy)-2,3,5,6-tetrafluorobenzamido)ethyl)amino)-6-oxohexyl)-2-((E)-2-((Z)-3-(2-((E)-5-(bis(3-sulfopropyl)amino)-3,3-dimethyl-1-(3-sulfopropyl)indolin-2-ylidene)ethylidene)-2-chlorocyclohex-1-en-1-yl)vinyl)-1,1-dimethyl-1H-benzo[e]indol-3-ium-7-sulfonate

InChi Key

NSTNPRUQYXIYCN-WQLOVQMRSA-N

InChi Code

InChI=1S/C127H145ClF4N10O23S5/c1-124(2)97-82-92(138(70-35-77-167(152,153)154)71-36-78-168(155,156)157)58-64-100(97)139(75-37-79-169(158,159)160)107(124)65-56-89-44-34-45-90(115(89)128)57-66-108-127(7,8)114-96-60-59-93(170(161,162)163)81-91(96)55-63-103(114)142(108)73-31-15-23-52-110(145)134-68-69-135-122(147)111-116(129)118(131)120(119(132)117(111)130)164-84-104(143)98(136-121(146)99(80-85-38-16-12-17-39-85)137-123(148)165-83-86-40-18-13-19-41-86)48-28-29-67-133-109(144)51-22-14-30-72-140-101-61-53-87-42-24-26-46-94(87)112(101)125(3,4)105(140)49-20-10-9-11-21-50-106-126(5,6)113-95-47-27-25-43-88(95)54-62-102(113)141(106)74-32-33-76-166(149,150)151/h9-13,16-21,24-27,38-43,46-47,49-50,53-66,81-82,98-99H,14-15,22-23,28-37,44-45,48,51-52,67-80,83-84H2,1-8H3,(H8-2,133,134,135,136,137,144,145,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163)/t98-,99-/m0/s1

SMILES Code

ClC(/C(CCC1)=C\C=C2N(CCCS(=O)(O)=O)C(C=CC(N(CCCS(=O)(O)=O)CCCS(=O)(O)=O)=C3)=C3C\2(C)C)=C1/C=C/C(C4(C)C)=[N+](CCCCCC(NCCNC(C5=C(F)C(F)=C(OCC([C@]([H])(CCCCNC(CCCCC[N+]6=C(/C=C/C=C/C=C/C=C7C(C)(C)C(C(C=CC=C8)=C8C=C9)=C9N\7CCCCS(=O)([O-])=O)C(C)(C)C%10=C6C=CC%11=C%10C=CC=C%11)=O)NC([C@@](CC%12=CC=CC=C%12)([H])NC(OCC%13=CC=CC=C%13)=O)=O)=O)C(F)=C5F)=O)=O)C%14=C4C%15=C(C=C%14)C=C(S(=O)([O-])=O)C=C%15

Appearance

To be determined

Purity

>98% (or refer to the Certificate of Analysis)

Shipping Condition

Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition

Dry, dark and at 0 -4 C for short term (days to weeks) or -20 C for long term(months to years).

Solubility

To be determined

Shelf Life

>2 years if stored properly

Drug Formulation

To be determined

Stock Solution Storage

0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code

2934.99.9001

More Info

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 2,451.35 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.